N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine

C13H23N3O2 — CID 75504705

IUPACN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(C)Cc1nc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)7-13-15-12(16-18-13)8-14-10(3)11-5-4-6-17-11/h9-11,14H,4-8H2,1-3H3
InChIKeyDQUJZQNJMDTMQX-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.93
Rot. Bonds6

About N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine

N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine (PubChem CID 75504705) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine
PubChem CID75504705
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine
SMILESCC(C)Cc1nc(CNC(C)C2CCCO2)no1
InChIInChI=1S/C13H23N3O2/c1-9(2)7-13-15-12(16-18-13)8-14-10(3)11-5-4-6-17-11/h9-11,14H,4-8H2,1-3H3
InChIKeyDQUJZQNJMDTMQX-UHFFFAOYSA-N
XLogP1.93
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine (CID 75504705) is N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine is CC(C)Cc1nc(CNC(C)C2CCCO2)no1.
What is the InChIKey of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine?
The InChIKey is DQUJZQNJMDTMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)7-13-15-12(16-18-13)8-14-10(3)11-5-4-6-17-11/h9-11,14H,4-8H2,1-3H3.
What are the key properties of N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine?
N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine has a molecular weight of 253.35 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 75504705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).